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Also known as: 23876-13-3, (2-methyl-3-nitrophenyl)methanol, 2-methyl-3-nitrobenzylalcohol, Benzenemethanol, 2-methyl-3-nitro-, 1ex8sc1etw, 2-methyl-3-nitrobenzenemethanol
Molecular Formula
C8H9NO3
Molecular Weight
167.16  g/mol
InChI Key
QJANIQCEDPJNLO-UHFFFAOYSA-N
FDA UNII
1EX8SC1ETW

CAS 23876-13-3
(2-methyl-3-nitrophenyl)methanol is a natural product found in Acca sellowiana with data available.
1 2D Structure

CAS 23876-13-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2-methyl-3-nitrophenyl)methanol
2.1.2 InChI
InChI=1S/C8H9NO3/c1-6-7(5-10)3-2-4-8(6)9(11)12/h2-4,10H,5H2,1H3
2.1.3 InChI Key
QJANIQCEDPJNLO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=CC=C1[N+](=O)[O-])CO
2.2 Other Identifiers
2.2.1 UNII
1EX8SC1ETW
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 23876-13-3

2. (2-methyl-3-nitrophenyl)methanol

3. 2-methyl-3-nitrobenzylalcohol

4. Benzenemethanol, 2-methyl-3-nitro-

5. 1ex8sc1etw

6. 2-methyl-3-nitrobenzenemethanol

7. Einecs 245-923-1

8. (2-methyl-3-nitro-phenyl)-methanol

9. Unii-1ex8sc1etw

10. Schembl715298

11. 2-methyl-3-nitrophenylmethanol

12. 2-methyl-3-nitro Benzylalcohol

13. Dalc2-h_000050

14. 2-methyl-3-nitro Benzyl Alcohol

15. Dtxsid20178578

16. Zinc2567947

17. (2-methyl-3-nitrophenyl)methanol #

18. Mfcd00007166

19. Akos009156888

20. 2-methyl-3-nitrobenzyl Alcohol, 99%

21. 3-hydroxymethyl-2-methyl-1-nitrobenzene

22. As-17900

23. Db-021338

24. Am20030418

25. Cs-0097438

26. Ft-0638363

27. A816957

28. J-015255

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 167.16 g/mol
Molecular Formula C8H9NO3
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass167.058243149 g/mol
Monoisotopic Mass167.058243149 g/mol
Topological Polar Surface Area66 Ų
Heavy Atom Count12
Formal Charge0
Complexity166
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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